Ambuphylline

Base Information

• Chemical Name: Ambuphylline
• CAS No.: 5634-34-4
• Molecular Formula: C11H19N5O3
• Molecular Weight: 269.30
• European Community (EC) Number: 227-077-5
• UNII: VOU5V0B772
• DSSTox Substance ID: DTXSID60204880
• Wikipedia: Ambuphylline
• Wikidata: Q4741993
• NCI Thesaurus Code: C76572
• Pharos Ligand ID: bufylline
• Metabolomics Workbench ID: 154590
• ChEMBL ID: CHEMBL2104089
• Mol file: 5634-34-4.mol

Synonyms:ambuphylline;bufylline;theophylline aminoisobutanol

Chemical Property of Ambuphylline

Chemical Property:

• Vapor Pressure: 1.96E-08mmHg at 25°C
• Melting Point: 254-256°
• Boiling Point: 454.1 °C at 760 mmHg
• Flash Point: 228.4 °C
• PSA: 118.93000
• LogP: -0.62340
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 1
• Exact Mass: 269.14878949
• Heavy Atom Count: 19
• Complexity: 310

Purity/Quality:

98% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C)(CO)N.CN1C2=C(C(=O)N(C1=O)C)NC=N2
• Uses: Diuretic; relaxant (smooth muscle).
• Therapeutic Function: Diuretic, Smooth muscle relaxant

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